N-[(2,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine

C17H27NO2 — CID 43082086

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine
SMILESCOc1ccc(CNC2CCCC(C)C2C)c(OC)c1
InChIInChI=1S/C17H27NO2/c1-12-6-5-7-16(13(12)2)18-11-14-8-9-15(19-3)10-17(14)20-4/h8-10,12-13,16,18H,5-7,11H2,1-4H3
InChIKeyPZVMXQQGVQIQNQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.62
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine

N-[(2,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine (PubChem CID 43082086) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine
PubChem CID43082086
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine
SMILESCOc1ccc(CNC2CCCC(C)C2C)c(OC)c1
InChIInChI=1S/C17H27NO2/c1-12-6-5-7-16(13(12)2)18-11-14-8-9-15(19-3)10-17(14)20-4/h8-10,12-13,16,18H,5-7,11H2,1-4H3
InChIKeyPZVMXQQGVQIQNQ-UHFFFAOYSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine
CID 2852810
2-[(2,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 62365081
[2-[(2,4-dimethoxyphenyl)methylamino]cyclopentyl]methanol
CID 103700479
4-[[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]methyl]-7-methoxychromen-2-one
CID 51684418
N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride
CID 21435442
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylcycloheptan-1-amine
CID 102876472
(2S,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 54042536
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-[(1S,2R)-2-methylcyclohexyl]thiourea
CID 8786326
N-cyclopentyloxy-1-(2,4-dimethoxyphenyl)methanamine
CID 83228718
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64909729
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 55249228

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine (CID 43082086) is N-[(2,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine is COc1ccc(CNC2CCCC(C)C2C)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine?
The InChIKey is PZVMXQQGVQIQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12-6-5-7-16(13(12)2)18-11-14-8-9-15(19-3)10-17(14)20-4/h8-10,12-13,16,18H,5-7,11H2,1-4H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine?
N-[(2,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 43082086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).